2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile
TL;DR: 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile (CAS 1024776-64-4) is a chemical compound with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-(quinolin-8-ylamino)prop-2-enenitrile
Also Known As: 2-(benzenesulfonyl)-3-(quinolin-8-ylamino)prop-2-enenitrile, 2-(PHENYLSULFONYL)-3-(8-QUINOLYLAMINO)PROP-2-ENENITRILE, 2-(benzenesulfonyl)-3-(8-quinolylamino)prop-2-enenitrile, (E)-2-(phenylsulfonyl)-3-(8-quinolinylamino)-2-propenenitrile, (2E)-2-(benzenesulfonyl)-3-[(quinolin-8-yl)amino]prop-2-enenitrile
| Molecular Formula | C18H13N3O2S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 3.48558 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.07285 |
| Heavy Atoms | 24 |
| Complexity | 1047.069 |
Chemical Identifiers
| CAS Number | 1024776-64-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=CC3=C2N=CC=C3)C#N |
Product Overview
2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile (CAS 1024776-64-4), with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol. IUPAC: 2-(benzenesulfonyl)-3-(quinolin-8-ylamino)prop-2-enenitrile.
Chemical Property Profile of 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile
Property Insights of 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile
The XLogP value of 3.48558 indicates that 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile?
The CAS number of 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile is 1024776-64-4.
What is the molecular formula of 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile?
The molecular formula of 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile is C18H13N3O2S.
What is the molecular weight of 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile?
The molecular weight of 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile is 335.07 g/mol.
Where can I buy 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile?
You can request a quote for 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylsulfonyl)-3-(8-quinolylamino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.